N-ethyl-15-fluoro-14-methyl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide

C23H17FN2O3 — CID 143264780

IUPACN-ethyl-15-fluoro-14-methyl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
SMILESCCNC(=O)c1cn2c3c(c(C)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2
InChIInChI=1S/C23H17FN2O3/c1-3-25-23(28)16-11-26-18-8-13-6-4-5-7-14(13)9-19(18)29-22-12(2)17(24)10-15(20(22)26)21(16)27/h4-11H,3H2,1-2H3,(H,25,28)
InChIKeyIVPSFUJLVDSINA-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.45
Rot. Bonds2

About N-ethyl-15-fluoro-14-methyl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide

N-ethyl-15-fluoro-14-methyl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide (PubChem CID 143264780) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-ethyl-15-fluoro-14-methyl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide.

Molecular Properties

Compound NameN-ethyl-15-fluoro-14-methyl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
PubChem CID143264780
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC NameN-ethyl-15-fluoro-14-methyl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
SMILESCCNC(=O)c1cn2c3c(c(C)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2
InChIInChI=1S/C23H17FN2O3/c1-3-25-23(28)16-11-26-18-8-13-6-4-5-7-14(13)9-19(18)29-22-12(2)17(24)10-15(20(22)26)21(16)27/h4-11H,3H2,1-2H3,(H,25,28)
InChIKeyIVPSFUJLVDSINA-UHFFFAOYSA-N
XLogP4.45
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-15-fluoro-18-oxo-14-(2-phenylpropylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
CID 143457612
15-fluoro-14-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;(6R)-6-methyl-4-azatricyclo[5.2.0.01,4]nonane
CID 142953716
ethane;15-fluoro-14-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylheptyl)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
CID 143457667
15-fluoro-N-(2-morpholin-4-ylethyl)-14-(3-morpholin-4-ylpropanoylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
CID 58744579
15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
CID 11192836
14-(2-hydroxypropylamino)-15-methyl-N-(3-methylheptyl)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide
CID 143265026
14-(3-aminopyrrolidin-1-yl)-15-fluoro-N-[(2R)-2-hydroxypropyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
CID 58745217
14-[(3R)-3-aminopyrrolidin-1-yl]-N-[4-(dimethylaminomethylideneamino)butyl]-15-fluoro-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
CID 58744905
N-benzyl-15-fluoro-14-[3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propylamino]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
CID 142953670
ethane;14-(2-hydroxypropylamino)-15-methyl-N-(3-methylheptyl)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide
CID 143265025
N-(3-methylheptyl)-18-oxo-14-(propylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide
CID 143457751
14-(3-aminopyrrolidin-1-yl)-N-[(1-butylpiperidin-4-yl)methyl]-15-fluoro-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
CID 58744481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-15-fluoro-14-methyl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide?
The IUPAC name of N-ethyl-15-fluoro-14-methyl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide (CID 143264780) is N-ethyl-15-fluoro-14-methyl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide.
What is the SMILES notation for N-ethyl-15-fluoro-14-methyl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide?
The canonical SMILES for N-ethyl-15-fluoro-14-methyl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide is CCNC(=O)c1cn2c3c(c(C)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.
What is the InChIKey of N-ethyl-15-fluoro-14-methyl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide?
The InChIKey is IVPSFUJLVDSINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3/c1-3-25-23(28)16-11-26-18-8-13-6-4-5-7-14(13)9-19(18)29-22-12(2)17(24)10-15(20(22)26)21(16)27/h4-11H,3H2,1-2H3,(H,25,28).
What are the key properties of N-ethyl-15-fluoro-14-methyl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide?
N-ethyl-15-fluoro-14-methyl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-15-fluoro-14-methyl-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide is sourced from PubChem (CID 143264780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).